SCHEMBL14865344

SCHEMBL14865344

CCCOC(=O)C(C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4206328 0.93 HCAR2 (0.43) ALDH1A1HPGDLMNAHSD17B10HCAR2
SCHEMBL141446 0.87 ALDH1A1 (0.53) ALDH1A1HPGDLMNAHSD17B10HCAR2
Ethane SCHEMBL9181718 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10HCAR2
SCHEMBL28186389 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10HCAR2
SCHEMBL8800602 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10HCAR2
Ammonia Solution, Strong SCHEMBL28791130 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10HCAR2
SCHEMBL28480625 0.85 NAAA (0.50) ALDH1A1LMNAHCAR2MAPK1TSHR
SCHEMBL9694995 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HCAR2ALOX15
SCHEMBL27437489 0.84 CA1 (0.41) ALDH1A1HPGDLMNAHSD17B10HCAR2
SCHEMBL28471247 0.83 NAAA (0.53) ALDH1A1LMNAHCAR2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825785-A Emulsion polymers, emulsion processes and polymer compositions comprising one or more 1, 1-disubstituted alkene compounds 赛鲁斯股份有限公司 2020-10-27 CN claimed
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed